3-(1-benzofuran-2-ylcarbonyl)-2-(4-tert-butylphenyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-5-oxidanylidene-2H-pyrrol-4-olate

Systemtic Name: 3-(1-benzofuran-2-ylcarbonyl)-2-(4-tert-butylphenyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-5-oxidanylidene-2H-pyrrol-4-olate Openeye Name: 3-(benzofuran-2-carbonyl)-2-(4-tert-butylphenyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-5-oxo-2H-pyrrol-4-olate CAS Name: 3-[2-benzofuranyl(oxo)methyl]-2-(4-tert-butylphenyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-5-oxo-2H-pyrrol-4-olate IUPAC Name: 3-(1-benzofuran-2-carbonyl)-2-(4-tert-butylphenyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-5-oxo-2H-pyrrol-4-olate Traditional Name: 4-(benzofuran-2-carbonyl)-5-(4-tert-butylphenyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-2-keto-3-pyrrolin-3-olate Formula: C29H29N3O4 MolecularWeight: 483.55826

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2C(=C(C(=O)N2CCC[N+]3=CNC=C3)[O-])C(=O)C4=CC5=CC=CC=C5O4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2C(=C(C(=O)N2CCC[N+]3=CNC=C3)[O-])C(=O)C4=CC5=CC=CC=C5O4

InChI

InChI=1S/C29H29N3O4/c1-29(2,3)21-11-9-19(10-12-21)25-24(26(33)23-17-20-7-4-5-8-22(20)36-23)27(34)28(35)32(25)15-6-14-31-16-13-30-18-31/h4-5,7-13,16-18,25H,6,14-15H2,1-3H3,(H,33,34)